Details of the Drug

General Information of Drug (ID: DM2UPSV)

Drug Name

NSC-345763

Synonyms

NSC-345763; 7-(8-hydroxyquinolin-5-yl)-4,7-dioxoheptanoic acid; NSC345763; AC1L7HSU; CHEMBL597114

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

301.29

Logarithm of the Partition Coefficient (xlogp)

1

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C16H15NO5
IUPAC Name: 7-(8-hydroxyquinolin-5-yl)-4,7-dioxoheptanoic acid
Canonical SMILES: C1=CC2=C(C=CC(=C2N=C1)O)C(=O)CCC(=O)CCC(=O)O
InChI: InChI=1S/C16H15NO5/c18-10(4-8-15(21)22)3-6-13(19)11-5-7-14(20)16-12(11)2-1-9-17-16/h1-2,5,7,9,20H,3-4,6,8H2,(H,21,22)
InChIKey: SDIIGLWXEVMFDA-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
DNA [cytosine-5]-methyltransferase (DNMT)	TTHVCUP	NOUNIPROTAC	Inhibitor	[1]
DNA [cytosine-5]-methyltransferase 3B (DNMT3B)	TT6VZ78	DNM3B_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Novel and selective DNA methyltransferase inhibitors: Docking-based virtual screening and experimental evaluation. Bioorg Med Chem. 2010 Jan 15;18(2):822-9.